1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol

C13H8F3NO — CID 90296547

IUPAC1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol
SMILESC=C(O)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C13H8F3NO/c1-7(18)11-6-5-10(16)13(17-11)12-8(14)3-2-4-9(12)15/h2-6,18H,1H2
InChIKeyAQWVXYCVRVLTOY-UHFFFAOYSA-N
MW251.21 g/mol
LogP3.69
Rot. Bonds2

About 1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol

1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol (PubChem CID 90296547) has the molecular formula C13H8F3NO and a molecular weight of 251.21 g/mol. Its IUPAC name is 1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol.

Molecular Properties

Compound Name1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol
PubChem CID90296547
Molecular FormulaC13H8F3NO
Molecular Weight251.21 g/mol
Exact Mass251.06
IUPAC Name1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol
SMILESC=C(O)c1ccc(F)c(-c2c(F)cccc2F)n1
InChIInChI=1S/C13H8F3NO/c1-7(18)11-6-5-10(16)13(17-11)12-8(14)3-2-4-9(12)15/h2-6,18H,1H2
InChIKeyAQWVXYCVRVLTOY-UHFFFAOYSA-N
XLogP3.69
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.21
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol?
The IUPAC name of 1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol (CID 90296547) is 1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol.
What is the SMILES notation for 1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol?
The canonical SMILES for 1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol is C=C(O)c1ccc(F)c(-c2c(F)cccc2F)n1.
What is the InChIKey of 1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol?
The InChIKey is AQWVXYCVRVLTOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8F3NO/c1-7(18)11-6-5-10(16)13(17-11)12-8(14)3-2-4-9(12)15/h2-6,18H,1H2.
What are the key properties of 1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol?
1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol has a molecular weight of 251.21 g/mol, XLogP of 3.69, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2,6-difluorophenyl)-5-fluoro-2-pyridinyl]ethenol is sourced from PubChem (CID 90296547), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).